이름: 4-(3,4-dimethoxy-5-nitrophenyl)-2-(2-(trifluoromethyl)pyridin-3-yl)oxazole
SMILES:
COc1cc(-c2coc(-c3cccnc3C(F)(F)F)n2)cc([N+](=O)[O-])c1OCMolecular Processing
Molecular formula
C17H12F3N3O5
Molecular weight
395.29
Exact mass
395.0729
XLogP
4.35
TPSA
100.52
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
89.93
Supplementary Information
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